1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine

C12H15BrN2 — CID 13384095

IUPAC1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCc1[nH]c2cc(Br)ccc2c1CN(C)C
InChIInChI=1S/C12H15BrN2/c1-8-11(7-15(2)3)10-5-4-9(13)6-12(10)14-8/h4-6,14H,7H2,1-3H3
InChIKeyNFVQHSDQKOTZIK-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.30
Rot. Bonds2

About 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 13384095) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID13384095
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCc1[nH]c2cc(Br)ccc2c1CN(C)C
InChIInChI=1S/C12H15BrN2/c1-8-11(7-15(2)3)10-5-4-9(13)6-12(10)14-8/h4-6,14H,7H2,1-3H3
InChIKeyNFVQHSDQKOTZIK-UHFFFAOYSA-N
XLogP3.30
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 13384095) is 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine is Cc1[nH]c2cc(Br)ccc2c1CN(C)C.
What is the InChIKey of 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is NFVQHSDQKOTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8-11(7-15(2)3)10-5-4-9(13)6-12(10)14-8/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 13384095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).